3-(4-{[1-(isoquinoline-1-carbonyl)piperidin-4-yl]methyl}phenyl)propanamide
Chemical Structure Depiction of
3-(4-{[1-(isoquinoline-1-carbonyl)piperidin-4-yl]methyl}phenyl)propanamide
3-(4-{[1-(isoquinoline-1-carbonyl)piperidin-4-yl]methyl}phenyl)propanamide
Compound characteristics
| Compound ID: | S787-0066 |
| Compound Name: | 3-(4-{[1-(isoquinoline-1-carbonyl)piperidin-4-yl]methyl}phenyl)propanamide |
| Molecular Weight: | 401.51 |
| Molecular Formula: | C25 H27 N3 O2 |
| Smiles: | C1CN(CCC1Cc1ccc(CCC(N)=O)cc1)C(c1c2ccccc2ccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4787 |
| logD: | 3.4787 |
| logSw: | -3.3581 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.55 |
| InChI Key: | XLXRHBOUFPKQHE-UHFFFAOYSA-N |